SCHEMBL16580828

SCHEMBL16580828

Cc1cc(Nc2ncc3cnn(S(=O)(=O)c4cccc5cccnc45)c3n2)ccc1N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 3/20 0.46
KCNH2 Q12809 1/20 0.46
HTR6 P50406 1/20 0.46
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
CCND2 P30279 3/20 0.45
CCND3 P30281 3/20 0.45
JAK2 O60674 7/20 0.44
BRD4 O60885 7/20 0.44
JAK1 P23458 4/20 0.43
BRD2 P25440 4/20 0.43
JAK3 P52333 4/20 0.43
BRD3 Q15059 4/20 0.43
BRDT Q58F21 4/20 0.43
ALDH1A1 P00352 1/20 0.43
ACVR1 Q04771 1/20 0.42
MAPT P10636 1/20 0.42
FLT3 P36888 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16580711 0.91 JAK2 (0.53) WEE1HTR6CDK4CCND1CCND3
SCHEMBL16580982 0.91 WEE1 (0.46) WEE1CDK4CCND1CCND2CCND3
SCHEMBL16580744 0.89 MAPT (0.46) CDK4CCND1CCND2CCND3JAK2
SCHEMBL16570057 0.88 JAK2 (0.49) WEE1KCNH2HTR6JAK2BRD4
SCHEMBL16570263 0.87 JAK2 (0.49) CDK4CCND1CCND2CCND3JAK2
SCHEMBL16570581 0.86 HTR6 (0.46) WEE1KCNH2HTR6JAK2JAK3
SCHEMBL16570820 0.80 WEE1 (0.47) WEE1CDK4CCND1JAK2BRD4
SCHEMBL16570822 0.80 WEE1 (0.47) WEE1CDK4CCND1JAK2BRD4
SCHEMBL16580846 0.80 WEE1 (0.47) WEE1CDK4CCND1JAK2BRD4
SCHEMBL16570146 0.78 JAK2 (0.58) WEE1CDK4CCND1CCND3JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US claimed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN WEE1 1512/4885KCNH2 4357/4885HTR6 1484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.